N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C19H19N3O6S2 — CID 42109107

IUPACN-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C19H19N3O6S2/c1-26-13-5-7-14(8-6-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-4-9-16(27-2)17(10-12)28-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyANTBJSOOVJHGQK-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.22
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 42109107) has the molecular formula C19H19N3O6S2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID42109107
Molecular FormulaC19H19N3O6S2
Molecular Weight449.51 g/mol
Exact Mass449.07
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C19H19N3O6S2/c1-26-13-5-7-14(8-6-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-4-9-16(27-2)17(10-12)28-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyANTBJSOOVJHGQK-UHFFFAOYSA-N
XLogP3.22
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109109
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405780
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 42109107) is N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is ANTBJSOOVJHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S2/c1-26-13-5-7-14(8-6-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-4-9-16(27-2)17(10-12)28-3/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42109107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).